Crystallography Open Database

Information card for entry 7219380

7219379 << 7219380 >> 7219381

Preview

Coordinates	7219380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H80 Fe O2 P4
Calculated formula	C59 H80 Fe O2 P4
Title of publication	Synthesis of [POCOP]-Pincer Iron and Cobalt Complexes via Csp3-H Activation and Catalytic Application of Iron Hydride in Hydrosilylation Reactions
Authors of publication	huang, shaofeng; zhao, hua; Li, Xiaoyan; wang, lin; Sun, Hongjian
Journal of publication	RSC Adv.
Year of publication	2015
a	21.067 ± 0.004 Å
b	12.873 ± 0.003 Å
c	22.808 ± 0.005 Å
α	90°
β	115.18 ± 0.03°
γ	90°
Cell volume	5598 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1325
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1701
Goodness-of-fit parameter for all reflections included in the refinement	0.962
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219380.cif
130092	2015-01-24	cif/ Adding structures of 7219380, 7219381, 7219382, 7219383 via cif-deposit CGI script.	7219380.cif